Home Aminos Acetic acid,2-[(3-nitrophenyl)amino]-2-oxo-, ethyl ester

Acetic acid,2-[(3-nitrophenyl)amino]-2-oxo-, ethyl ester

CAS No.:
7501-69-1
Catalog Number:
AG005RLN
Molecular Formula:
C10H10N2O5
Molecular Weight:
238.1968
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Product Description
Catalog Number:
AG005RLN
Chemical Name:
Acetic acid,2-[(3-nitrophenyl)amino]-2-oxo-, ethyl ester
CAS Number:
7501-69-1
Molecular Formula:
C10H10N2O5
Molecular Weight:
238.1968
MDL Number:
MFCD00966380
IUPAC Name:
ethyl 2-(3-nitroanilino)-2-oxoacetate
InChI:
InChI=1S/C10H10N2O5/c1-2-17-10(14)9(13)11-7-4-3-5-8(6-7)12(15)16/h3-6H,2H2,1H3,(H,11,13)
InChI Key:
IOAWBDJZTBCMCG-UHFFFAOYSA-N
SMILES:
CCOC(=O)C(=O)Nc1cccc(c1)[N+](=O)[O-]
NSC Number:
53202
Properties
Complexity:
312  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
238.059g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
238.199g/mol
Monoisotopic Mass:
238.059g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
101A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3  
Properties